3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide

C18H20F3N5O2 — CID 122288154

IUPAC3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CC(F)(F)F)cc2)n1
InChIInChI=1S/C18H20F3N5O2/c1-12-10-15(26-6-8-28-9-7-26)25-17(22-12)24-14-4-2-13(3-5-14)23-16(27)11-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyDGGTZJFQDDRKSR-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.26
Rot. Bonds5

About 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide

3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide (PubChem CID 122288154) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
PubChem CID122288154
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CC(F)(F)F)cc2)n1
InChIInChI=1S/C18H20F3N5O2/c1-12-10-15(26-6-8-28-9-7-26)25-17(22-12)24-14-4-2-13(3-5-14)23-16(27)11-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyDGGTZJFQDDRKSR-UHFFFAOYSA-N
XLogP3.26
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 18566688
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122288068
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097
2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122288135
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122287655
3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27655731
3,4-dimethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 44826867
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122287908
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122288067
2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 56922137
methyl 3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112912186
1-(3,5-difluorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 70702897

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide (CID 122288154) is 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide is Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CC(F)(F)F)cc2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The InChIKey is DGGTZJFQDDRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-12-10-15(26-6-8-28-9-7-26)25-17(22-12)24-14-4-2-13(3-5-14)23-16(27)11-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide has a molecular weight of 395.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 122288154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).